5-bromo-4-methylquinoline

• ChemBase ID: 292893
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: Cc1ccnc2c1c(Br)ccc2
• Canonical SMILES: Cc1ccnc2c1c(Br)ccc2
• InChI: InChI=1S/C10H8BrN/c1-7-5-6-12-9-4-2-3-8(11)10(7)9/h2-6H,1H3
• InChIKey: OSAOJIZGLNLUPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-methylquinoline
• IUPAC Traditional name: 5-bromo-4-methylquinoline
• Synonyms: 5-Bromo-4-methylquinoline

Database IDs

• CAS Number: 698392-18-6
• PubChem SID: 180678424
• PubChem CID: 70700958

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3650525
• LogD (pH = 7.4): 3.4124322
• Log P: 3.4130745
• Molar Refractivity: 52.6433 cm^3
• Polarizability: 21.370255 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%